CID 72215699

1393567-29-7

Structural Information

Molecular Formula

C₆H₄BrNO₃

SMILES

C1=C(C=C(NC1=O)Br)C(=O)O

InChI

InChI=1S/C6H4BrNO3/c7-4-1-3(6(10)11)2-5(9)8-4/h1-2H,(H,8,9)(H,10,11)

InChIKey

RDEJDMRLIBFJNY-UHFFFAOYSA-N

Compound name

2-bromo-6-oxo-1H-pyridine-4-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 216.93745 Da
Monoisotopic Mass: 0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	217.94473	133.9
[M+Na]+	239.92667	136.7
[M+NH4]+	234.97127	137.1
[M+K]+	255.90061	138.6
[M-H]-	215.93017	132.1
[M+Na-2H]-	237.91212	136.2
[M]+	216.93690	132.3
[M]-	216.93800	132.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.